O3-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1-allophanoyl-2-methyl-propyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1-allophanoyl-2-methyl-propyl) ester O1-methyl ester Formula: C15H17N3O8 MolecularWeight: 367.31078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O8/c1-7(2)11(12(19)17-15(16)22)26-14(21)9-4-8(13(20)25-3)5-10(6-9)18(23)24/h4-7,11H,1-3H3,(H3,16,17,19,22)